44181686 -OEChem-03082010513D 56 60 0 1 0 0 0 0 0999 V2000 -5.6821 -0.6160 -2.3207 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 -0.3453 1.9487 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2842 0.4886 0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8187 2.6882 -0.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0767 -2.2978 0.8705 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0031 -1.0441 0.0657 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 -3.2314 -0.0373 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1022 -2.6990 -0.8877 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 -2.4556 -1.1489 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 4.8344 0.4229 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 4.5007 0.6728 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3795 -2.3385 1.5251 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5078 -2.2324 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 -3.5854 2.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 -1.3886 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 -1.2636 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 0.2654 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 -3.3059 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1264 -1.3145 0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2979 1.2884 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 -2.3457 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 -3.3733 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6962 -0.3235 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 0.9522 -1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9092 2.6766 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 -0.3452 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3069 -0.4363 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7298 3.7781 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 3.1814 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 -1.4985 -0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4847 0.3182 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 6.2111 0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4331 1.4596 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6564 3.7977 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4567 -1.4903 2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4886 -4.5162 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 -3.6363 3.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -3.5681 2.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 0.4130 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -4.0677 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5877 -4.1718 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9001 1.7606 -1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9508 0.4784 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7806 3.8997 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 2.6516 0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3687 -1.6641 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9761 -0.6248 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2528 0.3516 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1827 6.5362 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 6.8100 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4229 6.2933 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3698 1.3314 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6462 1.4790 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 4.7104 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5963 3.7261 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8568 3.8551 0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 16 2 0 0 0 0 3 27 1 0 0 0 0 3 31 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 15 2 0 0 0 0 9 21 1 0 0 0 0 9 30 2 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 32 1 0 0 0 0 11 29 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 30 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 33 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 M END > DB15639 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DWHXUGDWKAIASB-CQSZACIVSA-N/SDF?record_type=3d > COCCOC1=CC2=C(C=CN([C@H](C)C3=NN=C4N3C=C(C=C4F)C3=CN(C)N=C3)C2=O)N=C1 > InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1 > DWHXUGDWKAIASB-CQSZACIVSA-N > C23H22FN7O3 > 463.473 > 463.176815759 > 7 > 56 > 2.7781765778796155 > 47.60542640515411 > 1 > 0 > 0 > 0 > 6-[(1R)-1-[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-5,6-dihydro-1,6-naphthyridin-5-one > 2.27 > 0.7692908156666654 > -4.24 > 1 > 0 > 5 > 0 > 2.860200200554381 > 99.67 > 136.0193 > 7 > 1 > 2.64e-02 g/l > 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one > 0 $$$$